ethyl 2-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G873-0130 |
| Compound Name: | ethyl 2-(2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 483.93 |
| Molecular Formula: | C22 H18 Cl N5 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9727 |
| logD: | 3.9097 |
| logSw: | -4.5474 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.657 |
| InChI Key: | FSFQZXUZRDIVPU-UHFFFAOYSA-N |